ethyl 4-azanyl-6-[[4-(prop-2-enylsulfamoyl)phenyl]carbonylamino]quinoline-3-carboxylate

Systemtic Name: ethyl 4-azanyl-6-[[4-(prop-2-enylsulfamoyl)phenyl]carbonylamino]quinoline-3-carboxylate Openeye Name: ethyl 6-[[4-(allylsulfamoyl)benzoyl]amino]-4-amino-quinoline-3-carboxylate CAS Name: 4-amino-6-[[oxo-[4-(prop-2-enylsulfamoyl)phenyl]methyl]amino]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-6-[[4-(prop-2-enylsulfamoyl)benzoyl]amino]quinoline-3-carboxylate Traditional Name: 6-[[4-(allylsulfamoyl)benzoyl]amino]-4-amino-quinoline-3-carboxylic acid ethyl ester Formula: C22H22N4O5S MolecularWeight: 454.49888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C=CC(=CC2=C1N)NC(=O)C3=CC=C(C=C3)S(=O)(=O)NCC=C

Isomeric SMILES

CCOC(=O)C1=CN=C2C=CC(=CC2=C1N)NC(=O)C3=CC=C(C=C3)S(=O)(=O)NCC=C

InChI

InChI=1S/C22H22N4O5S/c1-3-11-25-32(29,30)16-8-5-14(6-9-16)21(27)26-15-7-10-19-17(12-15)20(23)18(13-24-19)22(28)31-4-2/h3,5-10,12-13,25H,1,4,11H2,2H3,(H2,23,24)(H,26,27)